Phaffiaol
| Internal ID | 848f9504-d659-4b98-847c-0838d49abbda |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 2-heptadecyl-4,6-dimethoxyphenol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC1=C(C(=CC(=C1)OC)OC)O |
| InChI | InChI=1S/C25H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-23(27-2)21-24(28-3)25(22)26/h20-21,26H,4-19H2,1-3H3 |
| InChI Key | PCBROMAIRGVTNX-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C25H44O3 |
| Molecular Weight | 392.60 g/mol |
| Exact Mass | 392.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 10.40 |
| SCHEMBL18342948 |
| 2,4-dimethoxy-6-heptadecylphenol |
| 2-heptadecyl-4,6-dimethoxyphenol |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.69% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 94.76% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.60% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.24% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.63% | 89.63% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.11% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.13% | 92.68% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.68% | 93.31% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.59% | 93.99% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.42% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.22% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.16% | 94.73% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.08% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.82% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.92% | 91.81% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.65% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 9977853 |
| LOTUS | LTS0079859 |
| wikiData | Q77518648 |